| General Property |
| Molceule ID (DB) | EGIN0001493 |
| Inhibitor Class | Purine |
| Molecule Name in Refrence Article | 9 compound |
| IUPAC Name | 2-[6-(dimethylamino)-9H-purin-9-yl]-1-(1H-indol-3-yl)ethan-1-one |
| Formula | C17H16N6O |
| Mass | 320.3485 |
| Exact Mass | 320.1385592 |
| Composition | C (63.74%), H (5.03%), N (26.23%), O (4.99%) |
| Atom Count | 40 |
| PI | 9.11 |
| Smiles | c1(ncnc2c1ncn2CC(=O)c1c2c([nH]c1)cccc2)N(C)C |
| InChI | 1S/C17H16N6O/c1-22(2)16-15-17(20-9-19-16)23(10-21-15)8-14(24)12-7-18-13-6-4-3-5-11(12)13/h3-7,9-10,1
8H,8H2,1-2H3 |
| InChIKey | FXGBQQHTSADYSH-UHFFFAOYSA-N |
| 2D Structure |  | Structure Backbone |  |
|
| View Structure in Jmol | Click to view 3 d structure Download Mol File |
| Drug Like Property | Druglikeliness |
| Symmetry & Geometry | Symmetry And Geometrical Information |
| Activity & Binding | Activity against isoform and covalant binding information |
| Topological Properties | Descriptors |
| Reference | 18524423 |
| Compounds from Reference | Other compounds from reference |
| Find Similar Compounds | |
| Reported activity against other enzymes | No activity data against other kinases present in database |
| Pub Chem Link |
42603882
|
| Drug Bank Link | - |
| ChemSpider Link | 24717600 |
| ChEMBL Link | CHEMBL519977 |
